N-[2-(azepan-1-yl)ethyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
N-[2-(azepan-1-yl)ethyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1425 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 551.75 |
| Molecular Formula: | C29 H41 N7 O2 S |
| Smiles: | CCOc1ccc(cc1)NCc1cccn1c1nnc(N2CCC(CC2)C(NCCN2CCCCCC2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6325 |
| logD: | 2.8499 |
| logSw: | -3.9225 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.281 |
| InChI Key: | RWQMOXBOUJQCJS-UHFFFAOYSA-N |